A stable neutral diborene containing a B=B double bond

被引：435

作者：

Wang, Yuzhong

Quillian, Brandon

Wei, Pingrong

Wannere, Chaitanya S.

Xie, Yaoming

King, R. Bruce

Schaefer, Henry F., III

Schleyer, Paul v. R.

Robinson, Gregory H. ^{[1
]}

机构：

[1] Univ Georgia, Dept Chem, Athens, GA 30602 USA

[2] Univ Georgia, Ctr Computat Chem, Athens, GA 30602 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 129卷 / 41期

关键词：

D O I：

10.1021/ja075932i

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The syntheses and molecular structures of four compounds are reported: 1 (RBBr3), 2 (R(H)(2)B-B(H)(2)R), 3 (R(H)B=B(H)R), and 4 (RBH3) (R = :C{N(2,6-Pr-i 2C6H3)CH}(2)).These compounds were characterized by single-crystal X-ray diffraction, H-1 and B-11 NMR, and elemental analyses. Compounds 2 and 3 were prepared by the KC8 reduction of I in Et2O Compound 3 is the first structurally characterized neutral diborene (mean B=B: 1.560(18) A). The nature of the B=B double bond in 3 was delineated by DFF computations.

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页码：12412 / +

页数：3

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